CID 200344

4-piperidinocyclohexyl benzoate

Structural Information

Molecular Formula
C18H25NO2
SMILES
C1CCN(CC1)C2CCC(CC2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H25NO2/c20-18(15-7-3-1-4-8-15)21-17-11-9-16(10-12-17)19-13-5-2-6-14-19/h1,3-4,7-8,16-17H,2,5-6,9-14H2
InChIKey
XWJXAKXWAGKBPG-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylcyclohexyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 170.3
[M+Na]+ 310.17776 171.0
[M-H]- 286.18126 176.1
[M+NH4]+ 305.22236 183.0
[M+K]+ 326.15170 167.6
[M+H-H2O]+ 270.18580 160.2
[M+HCOO]- 332.18674 184.2
[M+CH3COO]- 346.20239 199.3
[M+Na-2H]- 308.16321 170.6
[M]+ 287.18799 161.6
[M]- 287.18909 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.